Crystallography Open Database

Information card for entry 1567425

Preview

Coordinates	1567425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H24 O4 S
Calculated formula	C21 H24 O4 S
Title of publication	Access to chiral β-sulfonyl carbonyl compounds via photoinduced organocatalytic asymmetric radical sulfonylation with sulfur dioxide
Authors of publication	He, Fu-Sheng; Zhang, Chun; Jiang, Minghui; Lou, Lujun; Wu, Jie; Ye, Shengqing
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	30
Pages of publication	8834 - 8839
a	11.826 ± 0.002 Å
b	7.8223 ± 0.0013 Å
c	12.199 ± 0.002 Å
α	90°
β	118.99°
γ	90°
Cell volume	987.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0326
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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